5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene

C12H17N3O2S2 — CID 106003745

IUPAC5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene
SMILESCN(CCCN)S(=O)(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C12H17N3O2S2/c1-15(7-2-6-13)19(16,17)14-11-3-4-12-10(9-11)5-8-18-12/h3-5,8-9,14H,2,6-7,13H2,1H3
InChIKeyLHWOWZMIGJOIJM-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.84
Rot. Bonds6

About 5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene

5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene (PubChem CID 106003745) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene.

Molecular Properties

Compound Name5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene
PubChem CID106003745
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene
SMILESCN(CCCN)S(=O)(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C12H17N3O2S2/c1-15(7-2-6-13)19(16,17)14-11-3-4-12-10(9-11)5-8-18-12/h3-5,8-9,14H,2,6-7,13H2,1H3
InChIKeyLHWOWZMIGJOIJM-UHFFFAOYSA-N
XLogP1.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene?
The IUPAC name of 5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene (CID 106003745) is 5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene.
What is the SMILES notation for 5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene?
The canonical SMILES for 5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene is CN(CCCN)S(=O)(=O)Nc1ccc2sccc2c1.
What is the InChIKey of 5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene?
The InChIKey is LHWOWZMIGJOIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-15(7-2-6-13)19(16,17)14-11-3-4-12-10(9-11)5-8-18-12/h3-5,8-9,14H,2,6-7,13H2,1H3.
What are the key properties of 5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene?
5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene has a molecular weight of 299.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene is sourced from PubChem (CID 106003745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).